N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide

C28H24N2O3 — CID 2223099

IUPACN-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(Oc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H24N2O3/c31-27(29-19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)33-26-17-13-24(14-18-26)28(32)30-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,29,31)(H,30,32)
InChIKeyATIVNRPVVXLLPB-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.34
Rot. Bonds8

About N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide

N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide (PubChem CID 2223099) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
PubChem CID2223099
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC NameN-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(Oc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H24N2O3/c31-27(29-19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)33-26-17-13-24(14-18-26)28(32)30-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,29,31)(H,30,32)
InChIKeyATIVNRPVVXLLPB-UHFFFAOYSA-N
XLogP5.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
4-(benzamidomethyl)benzoic acid
CID 10879683
methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
CID 2792535
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide?
The IUPAC name of N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide (CID 2223099) is N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide.
What is the SMILES notation for N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide?
The canonical SMILES for N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide is O=C(NCc1ccccc1)c1ccc(Oc2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide?
The InChIKey is ATIVNRPVVXLLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c31-27(29-19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)33-26-17-13-24(14-18-26)28(32)30-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,29,31)(H,30,32).
What are the key properties of N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide?
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide has a molecular weight of 436.51 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide is sourced from PubChem (CID 2223099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).